5-chloro-N-[4-(chloromethyl)oxan-4-yl]furan-2-carboxamide

C11H13Cl2NO3 — CID 106300283

IUPAC5-chloro-N-[4-(chloromethyl)oxan-4-yl]furan-2-carboxamide
SMILESO=C(NC1(CCl)CCOCC1)c1ccc(Cl)o1
InChIInChI=1S/C11H13Cl2NO3/c12-7-11(3-5-16-6-4-11)14-10(15)8-1-2-9(13)17-8/h1-2H,3-7H2,(H,14,15)
InChIKeyKYWZOBZYBBIWSM-UHFFFAOYSA-N
MW278.13 g/mol
LogP2.45
Rot. Bonds3

About 5-chloro-N-[4-(chloromethyl)oxan-4-yl]furan-2-carboxamide

5-chloro-N-[4-(chloromethyl)oxan-4-yl]furan-2-carboxamide (PubChem CID 106300283) has the molecular formula C11H13Cl2NO3 and a molecular weight of 278.13 g/mol. Its IUPAC name is 5-chloro-N-[4-(chloromethyl)oxan-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(chloromethyl)oxan-4-yl]furan-2-carboxamide
PubChem CID106300283
Molecular FormulaC11H13Cl2NO3
Molecular Weight278.13 g/mol
Exact Mass277.03
IUPAC Name5-chloro-N-[4-(chloromethyl)oxan-4-yl]furan-2-carboxamide
SMILESO=C(NC1(CCl)CCOCC1)c1ccc(Cl)o1
InChIInChI=1S/C11H13Cl2NO3/c12-7-11(3-5-16-6-4-11)14-10(15)8-1-2-9(13)17-8/h1-2H,3-7H2,(H,14,15)
InChIKeyKYWZOBZYBBIWSM-UHFFFAOYSA-N
XLogP2.45
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[1-(hydroxymethyl)cyclopropyl]furan-2-carboxamide
CID 115764904
5-bromo-N-[4-(chloromethyl)oxan-4-yl]-2-iodobenzamide
CID 106300421
3-chloro-N-[4-(chloromethyl)oxan-4-yl]-4-iodobenzamide
CID 106300373
N-[4-(bromomethyl)oxan-4-yl]-4-chlorobenzamide
CID 106300976
N-[4-(chloromethyl)oxan-4-yl]-2,4-dihydroxybenzamide
CID 106300280
N-[4-(chloromethyl)oxan-4-yl]thiophene-2-carboxamide
CID 106300315
5-chloro-N-(1-methylcyclobutyl)furan-2-carboxamide
CID 71909913
N-[4-(chloromethyl)oxan-4-yl]-3-fluorobenzamide
CID 106300657
N-[4-(chloromethyl)oxan-4-yl]-3-iodobenzamide
CID 106300481
N-[4-(chloromethyl)oxan-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 106300278
N-(4-ethyloxan-4-yl)-5-sulfamoylfuran-2-carboxamide
CID 146123707
N-[4-(chloromethyl)oxan-4-yl]-2,3-dimethylbenzamide
CID 114170466

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(chloromethyl)oxan-4-yl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(chloromethyl)oxan-4-yl]furan-2-carboxamide (CID 106300283) is 5-chloro-N-[4-(chloromethyl)oxan-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(chloromethyl)oxan-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(chloromethyl)oxan-4-yl]furan-2-carboxamide is O=C(NC1(CCl)CCOCC1)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[4-(chloromethyl)oxan-4-yl]furan-2-carboxamide?
The InChIKey is KYWZOBZYBBIWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3/c12-7-11(3-5-16-6-4-11)14-10(15)8-1-2-9(13)17-8/h1-2H,3-7H2,(H,14,15).
What are the key properties of 5-chloro-N-[4-(chloromethyl)oxan-4-yl]furan-2-carboxamide?
5-chloro-N-[4-(chloromethyl)oxan-4-yl]furan-2-carboxamide has a molecular weight of 278.13 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(chloromethyl)oxan-4-yl]furan-2-carboxamide is sourced from PubChem (CID 106300283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).